[2,6-bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenyl-sulfanium; 4-(trifluoromethyl)benzenesulfonate

Systemtic Name: [2,6-bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenyl-sulfanium; 4-(trifluoromethyl)benzenesulfonate Openeye Name: (2,6-ditert-butoxyphenyl)-diphenyl-sulfonium; 4-(trifluoromethyl)benzenesulfonate CAS Name: [2,6-bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfonium; 4-(trifluoromethyl)benzenesulfonate IUPAC Name: [2,6-bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium; 4-(trifluoromethyl)benzenesulfonate Traditional Name: (2,6-ditert-butoxyphenyl)-diphenyl-sulfonium; 4-(trifluoromethyl)besylate Formula: C33H35F3O5S2 MolecularWeight: 632.75321

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=C(C(=CC=C1)OC(C)(C)C)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)OC1=C(C(=CC=C1)OC(C)(C)C)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)[O-]

InChI

InChI=1S/C26H31O2S.C7H5F3O3S/c1-25(2,3)27-22-18-13-19-23(28-26(4,5)6)24(22)29(20-14-9-7-10-15-20)21-16-11-8-12-17-21;8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h7-19H,1-6H3;1-4H,(H,11,12,13)/q+1;/p-1